============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 29 1.000 2.095 22.270 49.290 -99.200 -91.000 HIS 40 0.900 -3.613 11.079 27.827 -99.200 -91.000 HIS 62 0.900 -0.716 18.179 14.296 -99.200 -91.000 TYR 72 0.840 8.660 28.009 28.226 -99.200 -91.000 HIS 73 0.900 6.428 25.636 20.282 -99.200 -91.000 HIS 144 0.900 13.505 5.176 47.179 -99.200 -91.000 PHE 171 1.000 1.962 -11.116 35.962 -99.200 -91.000 TRP 174 1.040 1.257 -15.899 39.042 -99.200 -91.000 TRP6 174 1.020 0.309 -15.596 36.885 -99.200 -91.000 HIS 181 0.900 2.189 -20.344 29.177 -99.200 -91.000 HIS 190 0.900 0.739 -2.978 41.835 -99.200 -91.000 TRP 193 1.040 1.197 0.712 45.374 -99.200 -91.000 TRP6 193 1.020 1.155 2.684 46.678 -99.200 -91.000 HIS 217 0.900 25.024 3.085 46.392 -99.200 -91.000 PHE 220 1.000 17.131 7.692 51.700 -99.200 -91.000 TYR 224 0.840 23.777 -0.470 44.783 -99.200 -91.000 HIS 232 0.900 3.218 -5.356 53.617 -99.200 -91.000 HIS 238 0.900 3.146 2.606 51.944 -99.200 -91.000 PHE 243 1.000 17.159 3.384 63.034 -99.200 -91.000 TRP 267 1.040 12.140 16.952 53.853 -99.200 -91.000 TRP6 267 1.020 11.455 14.798 54.561 -99.200 -91.000 PHE 280 1.000 -3.406 0.331 63.129 -99.200 -91.000 HIS 281 0.900 -11.103 2.818 65.328 -99.200 -91.000 TRP 286 1.040 -0.135 -4.078 58.220 -99.200 -91.000 TRP6 286 1.020 0.895 -2.482 59.635 -99.200 -91.000 PHE 288 1.000 6.361 -7.584 56.829 -99.200 -91.000 PHE 296 1.000 8.633 -12.639 39.912 -99.200 -91.000 TYR 316 0.840 17.987 -2.581 36.172 -99.200 -91.000 PHE 327 1.000 4.636 -8.106 28.214 -99.200 -91.000 PHE 334 1.000 6.112 -10.100 33.030 -99.200 -91.000 HIS 346 0.900 24.720 -10.180 32.827 -99.200 -91.000 TRP 351 1.040 28.257 1.687 27.683 -99.200 -91.000 TRP6 351 1.020 28.773 3.842 26.840 -99.200 -91.000 TRP 367 1.040 26.649 -0.334 23.534 -99.200 -91.000 TRP6 367 1.020 26.030 -1.753 25.330 -99.200 -91.000